Dear ALL
when you start you refinment in phenix with ***.sca file, fraction of reflection in test set will be created. under options (bottom) in phenix refine, you could see that fraction of reflection in test set is 0.1 which means 10 %
by looking to the PDB header for completely different structures (below) you will find different percentage but always FREE R VALUE TEST SET COUNT is around 3800. so it always take the same 3800 count regardless the number of reflections.
when you look in generated mtz file after the refinment, you see under R-free-flags(+) and R-free-flags(-) either 0 or 1. what does 0 or 1 mean?
thank you in advance for explaination.
TKDawoD
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REMARK 3 NUMBER OF REFLECTIONS : 47312
REMARK 3 NUMBER OF REFLECTIONS (NON-ANOMALOUS) : 24389
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 R VALUE (WORKING + TEST SET) : 0.1673
REMARK 3 R VALUE (WORKING SET) : 0.1636
REMARK 3 FREE R VALUE : 0.2084
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 8.21
REMARK 3 FREE R VALUE TEST SET COUNT : 3882
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REMARK 3 NUMBER OF REFLECTIONS : 107005
REMARK 3 NUMBER OF REFLECTIONS (NON-ANOMALOUS) : 56251
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 R VALUE (WORKING + TEST SET) : 0.1457
REMARK 3 R VALUE (WORKING SET) : 0.15.34
REMARK 3 FREE R VALUE : 0.1997
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 3.51
REMARK 3 FREE R VALUE TEST SET COUNT : 3809
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NUMBER OF REFLECTIONS : 48150
REMARK 3 NUMBER OF REFLECTIONS (NON-ANOMALOUS) : 25296
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 R VALUE (WORKING + TEST SET) : 0.1507
REMARK 3 R VALUE (WORKING SET) : 0.1470
REMARK 3 FREE R VALUE : 0.1918
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 7.98
REMARK 3 FREE R VALUE TEST SET COUNT : 3841